ethyl 7-(5,6-diphenylpyridazin-3-yl)sulfanylheptanoate

Systemtic Name: ethyl 7-(5,6-diphenylpyridazin-3-yl)sulfanylheptanoate Openeye Name: ethyl 7-(5,6-diphenylpyridazin-3-yl)sulfanylheptanoate CAS Name: 7-[(5,6-diphenyl-3-pyridazinyl)thio]heptanoic acid ethyl ester IUPAC Name: ethyl 7-(5,6-diphenylpyridazin-3-yl)sulfanylheptanoate Traditional Name: 7-[(5,6-diphenylpyridazin-3-yl)thio]enanthic acid ethyl ester Formula: C25H28N2O2S MolecularWeight: 420.56702

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CCCCCCSC1=NN=C(C(=C1)C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCOC(=O)CCCCCCSC1=NN=C(C(=C1)C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C25H28N2O2S/c1-2-29-24(28)17-11-3-4-12-18-30-23-19-22(20-13-7-5-8-14-20)25(27-26-23)21-15-9-6-10-16-21/h5-10,13-16,19H,2-4,11-12,17-18H2,1H3